CAS RN: 86347-12-8
1-(2,3-DiMethylphenyl)-1-(1H-iMidazol-4-yl)ethanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86347-12-8
- Purity/Analytical Methods: >99.0%
86347-12-8 / 1-(2,3-dimethylphenyl)-1-(1H-imidazol-5-yl)ethanol
Basic Information
CAS
86347-12-8
Multi CAS
Yes
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
InChI
InChI=1S/C13H16N2O/c1-9-5-4-6-11(10(9)2)13(3,16)12-7-14-8-15-12/h4-8,16H,1-3H3,(H,14,15)
InChIKey
LBUFLYABQRDXQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.18
TPSA
48.91
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
1.8
Consensus LogP
2.03
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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